../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_tI12_122_d_a a c/a x2 standard 1 5.0585 1.4508649 0.91281159 Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000